[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(piperidin-1-ylsulfonylmethyl)phenyl]methanone

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(piperidin-1-ylsulfonylmethyl)phenyl]methanone Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(1-piperidylsulfonylmethyl)phenyl]methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[4-(1-piperidinylsulfonylmethyl)phenyl]methanone IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(piperidin-1-ylsulfonylmethyl)phenyl]methanone Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-[4-(piperidinosulfonylmethyl)phenyl]methanone Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CS(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CS(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C25H33N3O3S/c1-20-7-6-8-24(21(20)2)26-15-17-27(18-16-26)25(29)23-11-9-22(10-12-23)19-32(30,31)28-13-4-3-5-14-28/h6-12H,3-5,13-19H2,1-2H3